[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(trifluoromethyl)-2-pyridyl]isonipecotic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H25F3N4O4 MolecularWeight: 430.42141

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)C1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)C1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C19H25F3N4O4/c1-18(2,3)25-17(29)24-15(27)11-30-16(28)12-6-8-26(9-7-12)14-5-4-13(10-23-14)19(20,21)22/h4-5,10,12H,6-9,11H2,1-3H3,(H2,24,25,27,29)